CID 446355
(s)-mcpg
Structural Information
- Molecular Formula
- C10H11NO4
- SMILES
- C[C@](C1=CC=C(C=C1)C(=O)O)(C(=O)O)N
- InChI
- InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
- InChIKey
- DNCAZYRLRMTVSF-JTQLQIEISA-N
- Compound name
- 4-[(1S)-1-amino-1-carboxyethyl]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.07608 | 144.1 |
[M+Na]+ | 232.05802 | 152.6 |
[M+NH4]+ | 227.10262 | 149.3 |
[M+K]+ | 248.03196 | 150.7 |
[M-H]- | 208.06152 | 142.8 |
[M+Na-2H]- | 230.04347 | 147.4 |
[M]+ | 209.06825 | 144.5 |
[M]- | 209.06935 | 144.5 |